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2H-Pyran-3-carboxylic acid, 5,6-dihydro-, cyano(3-phenoxyphenyl)methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2H-Pyran-3-carboxylic acid, 5,6-dihydro-, cyano(3-phenoxyphenyl)methyl ester
SpectraBase Compound ID 462avq0sUp6
InChI InChI=1S/C20H17NO4/c21-13-19(25-20(22)16-7-5-11-23-14-16)15-6-4-10-18(12-15)24-17-8-2-1-3-9-17/h1-4,6-10,12,19H,5,11,14H2
InChIKey GUYGNVGWRUKLDO-UHFFFAOYSA-N
Mol Weight 335.36 g/mol
Molecular Formula C20H17NO4
Exact Mass 335.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUwHclYmdMy
Name 2H-Pyran-3-carboxylic acid, 5,6-dihydro-, cyano(3-phenoxyphenyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.115758027 u
Formula C20H17NO4
InChI InChI=1S/C20H17NO4/c21-13-19(25-20(22)16-7-5-11-23-14-16)15-6-4-10-18(12-15)24-17-8-2-1-3-9-17/h1-4,6-10,12,19H,5,11,14H2
InChIKey GUYGNVGWRUKLDO-UHFFFAOYSA-N
Molecular Weight 335.359 g/mol
SMILES C1(C(OC(C#N)C=2C=C(OC=3C=CC=CC3)C=CC2)=O)=CCCOC1